3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine

C28H33N9 — CID 167214186

IUPAC3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine
SMILESCCc1cccc(-c2ccn(-c3cc(N4CCCCC4)n4nc(-c5cc(C)n(N(C)C)n5)cc4n3)n2)c1
InChIInChI=1S/C28H33N9/c1-5-21-10-9-11-22(17-21)23-12-15-35(30-23)26-19-28(34-13-7-6-8-14-34)36-27(29-26)18-25(31-36)24-16-20(2)37(32-24)33(3)4/h9-12,15-19H,5-8,13-14H2,1-4H3
InChIKeyLAUXRHWSROGQPW-UHFFFAOYSA-N
MW495.64 g/mol
LogP4.50
Rot. Bonds6

About 3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine

3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine (PubChem CID 167214186) has the molecular formula C28H33N9 and a molecular weight of 495.64 g/mol. Its IUPAC name is 3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine.

Molecular Properties

Compound Name3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine
PubChem CID167214186
Molecular FormulaC28H33N9
Molecular Weight495.64 g/mol
Exact Mass495.29
IUPAC Name3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine
SMILESCCc1cccc(-c2ccn(-c3cc(N4CCCCC4)n4nc(-c5cc(C)n(N(C)C)n5)cc4n3)n2)c1
InChIInChI=1S/C28H33N9/c1-5-21-10-9-11-22(17-21)23-12-15-35(30-23)26-19-28(34-13-7-6-8-14-34)36-27(29-26)18-25(31-36)24-16-20(2)37(32-24)33(3)4/h9-12,15-19H,5-8,13-14H2,1-4H3
InChIKeyLAUXRHWSROGQPW-UHFFFAOYSA-N
XLogP4.50
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine?
The IUPAC name of 3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine (CID 167214186) is 3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine.
What is the SMILES notation for 3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine?
The canonical SMILES for 3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine is CCc1cccc(-c2ccn(-c3cc(N4CCCCC4)n4nc(-c5cc(C)n(N(C)C)n5)cc4n3)n2)c1.
What is the InChIKey of 3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine?
The InChIKey is LAUXRHWSROGQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N9/c1-5-21-10-9-11-22(17-21)23-12-15-35(30-23)26-19-28(34-13-7-6-8-14-34)36-27(29-26)18-25(31-36)24-16-20(2)37(32-24)33(3)4/h9-12,15-19H,5-8,13-14H2,1-4H3.
What are the key properties of 3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine?
3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine has a molecular weight of 495.64 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine is sourced from PubChem (CID 167214186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).